1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H20BrN3 — CID 107082892

IUPAC1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1ccc(CBr)cn1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-12-4-3-7-17(12)13-6-5-11(8-14)9-15-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyNJNZPNAXHSZYJD-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.51
Rot. Bonds4

About 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 107082892) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID107082892
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1ccc(CBr)cn1
InChIInChI=1S/C13H20BrN3/c1-16(2)10-12-4-3-7-17(12)13-6-5-11(8-14)9-15-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyNJNZPNAXHSZYJD-UHFFFAOYSA-N
XLogP2.51
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanamine
CID 80634931
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrazin-2-amine
CID 80653400
1-[1-[4-(bromomethyl)-2-nitrophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 107082885
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837
5-(bromomethyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 114063586
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethoxypyridin-3-amine
CID 62885391
1-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80635655
N-[[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 62888182
N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
CID 114926315
1-[1-(1H-imidazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 130979094
N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 62888353
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 107082892) is 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1c1ccc(CBr)cn1.
What is the InChIKey of 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is NJNZPNAXHSZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-16(2)10-12-4-3-7-17(12)13-6-5-11(8-14)9-15-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 298.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 107082892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).